benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium

C16H24NO+ — CID 6938459

IUPACbenzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium
SMILESOCC[NH+](Cc1ccccc1)C[C@H]1CC=CCC1
InChIInChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2/p+1/t16-/m0/s1
InChIKeyHHDWJOMSNUIHJG-INIZCTEOSA-O
MW246.37 g/mol
LogP1.42
Rot. Bonds6

About benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium

benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium (PubChem CID 6938459) has the molecular formula C16H24NO+ and a molecular weight of 246.37 g/mol. Its IUPAC name is benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebenzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium
PubChem CID6938459
Molecular FormulaC16H24NO+
Molecular Weight246.37 g/mol
Exact Mass246.19
IUPAC Namebenzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium
SMILESOCC[NH+](Cc1ccccc1)C[C@H]1CC=CCC1
InChIInChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2/p+1/t16-/m0/s1
InChIKeyHHDWJOMSNUIHJG-INIZCTEOSA-O
XLogP1.42
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
[(1R)-cyclohex-3-en-1-yl]methyl-[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]azanium
CID 7302621
1-benzyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7320074
benzyl-(2-hydroxyethyl)-(2-phenylmethoxyethyl)azanium
CID 7012592
(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
CID 97240092
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
[1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 42511894
1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 7026506
1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 4846949
benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium
CID 6943185
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112
2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54601250

Frequently Asked Questions

What is the IUPAC name of benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium?
The IUPAC name of benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium (CID 6938459) is benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium.
What is the SMILES notation for benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium?
The canonical SMILES for benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium is OCC[NH+](Cc1ccccc1)C[C@H]1CC=CCC1.
What is the InChIKey of benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium?
The InChIKey is HHDWJOMSNUIHJG-INIZCTEOSA-O. The full InChI is InChI=1S/C16H23NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-5,7-8,16,18H,6,9-14H2/p+1/t16-/m0/s1.
What are the key properties of benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium?
benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium has a molecular weight of 246.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium is sourced from PubChem (CID 6938459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).